4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline

C15H24F2N2 — CID 63060506

IUPAC4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline
SMILESCCN(CC)c1c(F)cc(CNC(C)(C)C)cc1F
InChIInChI=1S/C15H24F2N2/c1-6-19(7-2)14-12(16)8-11(9-13(14)17)10-18-15(3,4)5/h8-9,18H,6-7,10H2,1-5H3
InChIKeyKHSFCHWNCNAEHH-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.70
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline

4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline (PubChem CID 63060506) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline
PubChem CID63060506
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline
SMILESCCN(CC)c1c(F)cc(CNC(C)(C)C)cc1F
InChIInChI=1S/C15H24F2N2/c1-6-19(7-2)14-12(16)8-11(9-13(14)17)10-18-15(3,4)5/h8-9,18H,6-7,10H2,1-5H3
InChIKeyKHSFCHWNCNAEHH-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline (CID 63060506) is 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline is CCN(CC)c1c(F)cc(CNC(C)(C)C)cc1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline?
The InChIKey is KHSFCHWNCNAEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-6-19(7-2)14-12(16)8-11(9-13(14)17)10-18-15(3,4)5/h8-9,18H,6-7,10H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline?
4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline has a molecular weight of 270.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline is sourced from PubChem (CID 63060506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).